SCHEMBL13621910

SCHEMBL13621910

C/C=C(\NCc1cccc2ccccc12)c1cccc2c1cnn2-c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 19/20 0.57
▸ CYP17A1 P05093 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13621914 0.87 CCR1 (0.55) CCR1CYP17A1CYP1A2
SCHEMBL1136001 0.86 CCR1 (0.75) CCR1
SCHEMBL13621675 0.86 CCR1 (0.59) CCR1
SCHEMBL13622319 0.82 CCR1 (0.76) CCR1
SCHEMBL13621925 0.81 CCR1 (0.57) CCR1
SCHEMBL13622426 0.80 CCR1 (0.59) CCR1
SCHEMBL13622100 0.79 CCR1 (0.68) CCR1
SCHEMBL13621762 0.79 CCR1 (0.56) CCR1
SCHEMBL13621765 0.79 CCR1 (0.56) CCR1
SCHEMBL13622318 0.78 CCR1 (0.59) CCR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009134666-A1 INDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-05 — — WO disclosed
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